SCHEMBL7685531

SCHEMBL7685531

CN(CC1CC1)CC1CC1COc1ccc(C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 15/20 0.74
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fumaric Acid SCHEMBL7686116 0.94 LSS (0.68) LSS
Fumaric Acid SCHEMBL7686118 0.94 LSS (0.68) LSS
SCHEMBL7681227 0.88 LSS (0.73) LSSMEN1KMT2ALMNAMAPT
SCHEMBL7687794 0.85 LSS (1.00) LSSMEN1KMT2ALMNAMAPT
SCHEMBL17358775 0.85 LSS (1.00) LSSMEN1KMT2ALMNAMAPT
SCHEMBL7681502 0.84 LSS (0.74) LSSMEN1KMT2A
Hydrochloric Acid SCHEMBL7687467 0.84 LSS (0.98) LSSMEN1KMT2ALMNAMAPT
Fumaric Acid SCHEMBL7681711 0.83 LSS (0.66) LSS
Fumaric Acid SCHEMBL7681717 0.83 LSS (0.66) LSS
SCHEMBL7687793 0.80 LSS (0.61) LSSMEN1KMT2ALMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US claimed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP claimed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed